Information card for entry 7011831

Structure parameters

• Formula: C26 H37 Br Mn2 N2 O10
• Calculated formula: C26 H37 Br Mn2 N2 O10
• SMILES: [Mn]1234([O]5[Mn]6([N](CCC5CC[N]2=Cc2c(O1)c(ccc2)OC)=Cc1cccc(c1O6)OC)([O]=C(O3)C)([O]4C)[OH]C)[OH]C.[Br-]
• Title of publication: Synthesis and characterisation of dimanganese(iii) complexes of 1,5-bis(X-salicylidenamino)pentan-3-ol (X = 3- or 5-methoxy) and their catalytic activity towards hydrogen peroxide disproportionation
• Authors of publication: Palopoli, Claudia; González-Sierra, Manuel; Robles, Gustavo; Dahan, Françoise; Tuchagues, Jean-Pierre; Signorella, Sandra
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 3813
• a: 13.659 ± 0.0017 Å
• b: 16.8728 ± 0.0016 Å
• c: 14.2528 ± 0.0018 Å
• α: 90°
• β: 112.02 ± 0.011°
• γ: 90 ± 0.017°
• Cell volume: 3045.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No